1-Benzyl-3-phenylurea

Base Information

• Chemical Name: 1-Benzyl-3-phenylurea
• CAS No.: 1467-21-6
• Molecular Formula: C14H14 N2 O
• Molecular Weight: 226.278
• European Community (EC) Number: 653-576-6
• NSC Number: 131957
• DSSTox Substance ID: DTXSID00299674
• Nikkaji Number: J961.377C
• Wikidata: Q82042179
• Mol file: 1467-21-6.mol

Synonyms:1-benzyl-3-phenylurea;N-benzyl-N'-phenylurea;1467-21-6;NSC131957;1-phenyl-3-benzylurea;3-benzyl-1-phenylurea;n-phenyl-n'-benzylurea;Maybridge4_002662;N-benzyl-N'-phenyl urea;N-phenyl-N'-benzyl-urea;N-Benzyl-N'-phenyl-urea;SCHEMBL2831462;DTXSID00299674;XXFBRXQVPJVXFB-UHFFFAOYSA-N;HMS1528I22;AKOS001302061;NSC-131957;IDI1_032540;BRD-K14435679-001-01-5;Z44585705

Chemical Property of 1-Benzyl-3-phenylurea

Chemical Property:

• Vapor Pressure: 1.46E-05mmHg at 25°C
• Boiling Point: 366.5°Cat760mmHg
• Flash Point: 142.2°C
• Density: 1.178g/cm³
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 226.110613074
• Heavy Atom Count: 17
• Complexity: 230

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CNC(=O)NC2=CC=CC=C2

Technology Process of 1-Benzyl-3-phenylurea

There total 100 articles about 1-Benzyl-3-phenylurea which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 99.6%

N-benzhydrylidene-N'-phenylurea (23490-87-1) + benzylamine (100-46-9) → Benzophenone imine (1013-88-3) + N-phenyl-N'-benzylurea (1467-21-6)

Guidance literature:

Product distribution;

DOI:10.1002/ardp.19873200912

Reference yield: 98.0%

phenyl carbamate (64-10-8) + benzylamine (100-46-9) → N-phenyl-N'-benzylurea (1467-21-6)

Guidance literature:

at 110 - 120 ℃; for 4h; Ionic liquid; Green chemistry;

DOI:10.1002/hc.21244

Reference yield: 98.0%

phenyl isocyanate (103-71-9) + benzylamine (100-46-9) → N-phenyl-N'-benzylurea (1467-21-6)

Guidance literature:

In dichloromethane; at 60 ℃; for 5h; Inert atmosphere; Sealed reaction vessel;

DOI:10.1039/c0cc00415d

upstream raw materials:

N-phenyl-1H-imidazole-1-carboxamide

benzylamine

acetic anhydride

phenyl isocyanate

Downstream raw materials:

3-benzyl-3-nitroso-1-phenylurea

1,3-dibenzylurea

phenyl carbamate

1-benzyl-1,3-dimethyl-3-phenylurea

Refernces

• 1、 Yang, Yingfeng,Ying, Hanze,Jia, Yunchao,Chen, Yingying,Cheng, Jianjun. "Stabilization of the hindered urea bond through de-tert-butylation". supporting information. p. 3812 - 3815. Retrieved 2021/04/21.
• 2、 Li, Jian,He, Wang,Lei, Pan,Song, Jiacheng,Huo, Jiyou,Wei, Hongbo,Bai, Hongjin,Xie, Weiqing. "2,2,2-Trifluroenthanol promoted synthesis of unsymmetrical ureas from dioxazolones and amines via tandem lossen rearrangement/condensation process". supporting information. p. 3590 - 3600. Retrieved 2021/10/07.